APPLICATION OF GLAUBER STATES TO THE VIBRONIC SPECTRUM OF MAGNETIC-IMPURITIES IN CRYSTALS

Citation
Ee. Vogel et al., APPLICATION OF GLAUBER STATES TO THE VIBRONIC SPECTRUM OF MAGNETIC-IMPURITIES IN CRYSTALS, Zeitschrift für physikalische Chemie, 200, 1997, pp. 227-244
Citations number
19
Categorie Soggetti
Chemistry Physical","Physics, Atomic, Molecular & Chemical
ISSN journal
09429352
Volume
200
Year of publication
1997
Part
1-2
Pages
227 - 244
Database
ISI
SICI code
0942-9352(1997)200:<227:AOGSTT>2.0.ZU;2-9
Abstract
Glauber states are suitable for describing oscillators displaced from the origin, therefore they are appropriate for dealing with the local vibrations of a multiatomic system after a Jahn-Teller distortion has taken place. The resulting wave functions based on displaced harmonic oscillators are not orthogonal. In the present paper we describe a way for using such functions in the numeric evaluation of properties rela ted to the vibronic spectra of real systems. The presentation is divid ed into three parts: 1) Review of the main properties of Glauber state s; 2) Analytic application of them to the ground states for some gener al couplings like epsilon X T-1, epsilon X T-2, and tau(2) X T-1; 3) T he central part of the work corresponds to the numerical application o f Glauber states to excited states of the lower multiplet of Fe2+ in I I-VI zinc-blende compounds (CdTe,ZnS), explaining the corresponding in frared absorption spectra.The discussion will cover the following poin ts: handling of the symmetry properties of the system; formation of al gorithms for the computer calculations based on Glauber states; compar ison with experimental spectra; comparison with other numerical method s. In the concluding remarks, the advantages and disadvantages of this method based on Glauber states will be outlined.